Compound Detail
CHEMBL5882969
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Basic Information
| ChEMBL ID | CHEMBL5882969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDEIHTNJRRVHEQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.39
ALogP
8
HBA
2
HBD
83.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Cyclin-dependent kinase 4/6 CHEMBL3885553 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 7.0 | nM | 8.15 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| Cyclin-dependent kinase 4/6 | IC50 | = | 14.0 | nM | 7.85 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
| CDK2/Cyclin A2 | IC50 | = | 40.0 | nM | 7.4 | CDK Kinase Assays: To demonstrate that the compounds exhibit affinity for CDK ki... | - |
Data from ChEMBL 36 via Core Engine